Sugi Predict

Sugi Predict / Compounds / SCHEMBL698784

SCHEMBL698784

SCHEMBL698784

Cc1cc(F)cc(C=O)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 1/20 0.42
▸ ERN1 O75460 2/20 0.38
▸ PTGS1 P23219 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ ACHE P22303 1/20 0.36
▸ NFE2L2 Q16236 2/20 0.35
▸ SRC P12931 1/20 0.34
▸ RAPGEF4 Q8WZA2 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29955745 1.00 CYP2A6 (0.42) CYP2A6ERN1PTGS1PTGS2ACHE
SCHEMBL96269 0.82 ERN1 (0.41) CYP2A6ERN1PTGS1PTGS2NFE2L2
SCHEMBL3129625 0.82 CYP2A6 (0.52) CYP2A6ERN1PTGS2SRCKDM4E
SCHEMBL280640 0.82 CYP2A6 (0.52) CYP2A6ERN1SRCALDH1A1
SCHEMBL6854243 0.82 ERN1 (0.41) CYP2A6ERN1PTGS1PTGS2NFE2L2
Hydrochloric Acid SCHEMBL28065211 0.79 CYP2A6 (0.50) CYP2A6ERN1SRCALDH1A1
Ammonia Solution, Strong SCHEMBL13735346 0.79 ERN1 (0.39) CYP2A6ERN1PTGS1PTGS2NFE2L2
SCHEMBL18255047 0.79 GABBR2 (0.42) PTGS1PTGS2ACHENFE2L2KDM4E
SCHEMBL16954930 0.76 PTGS1 (0.42) PTGS1PTGS2ACHENFE2L2RAPGEF4
SCHEMBL16959668 0.76 TP53 (0.46) PTGS1PTGS2ACHENFE2L2RAPGEF4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 103 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114409595-A 1-styryl isoquinoline derivative and preparation and application thereof 南华大学附属第一医院 2022-04-29 — — CN claimed
EP-4626891-A1 FUSED PYRIMIDINES AS MASP-2 INHIBITORS Omeros Corporation (US) 2025-10-08 — — EP disclosed
US-20250282712-A1 DIMETHOXYPHENYLALKYLAMINE ACTIVATORS OF SEROTONIN RECEPTORS ATAI THERAPEUTICS INC (US) 2025-09-11 — — US disclosed
US-12351537-B2 Dimethoxyphenylalkylamine activators of serotonin receptors ATAI THERAPEUTICS, INC. (US) 2025-07-08 — — US disclosed
CN-119384412-A SARM1 modulators, their preparation and use 维泰瑞隆有限公司 2025-01-28 — — CN disclosed
WO-2024222588-A1 SMALL MOLECULE COMPOUND, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF 中科中山药物创新研究院 2024-10-31 — — WO disclosed
US-20240294461-A1 DIMETHOXYPHENYLALKYLAMINE ACTIVATORS OF SEROTONIN RECEPTORS Atai Therapeutics Inc. 2024-09-05 — — US disclosed
US-20240228499-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION (US) 2024-07-11 — — US disclosed
WO-2024131448-A1 INDOLIN-2-ONE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF 沈阳药科大学 2024-06-27 — — WO disclosed
CN-118221652-A Indol-2-one derivative and preparation method and application thereof 沈阳药科大学 2024-06-21 — — CN disclosed
WO-2009143018-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2009-11-26 — — WO disclosed
US-20090286782-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2009-11-19 — — US disclosed
US-20090286782-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2009-11-19 — — US disclosed
WO-2009074487-A1 INHIBITORS OF STEAROYL-COA DESATURASE F. HOFFMANN-LA ROCHE AG (CH) 2009-06-18 — — WO disclosed
US-20090149466-A1 INHIBITORS OF STEAROYL-COA DESATURASE GILLESPIE PAUL 2009-06-11 — — US disclosed
CN-101370786-A Substituted imidazoles and their use as pesticides PFIZER LTD (GB) 2009-02-18 — — CN disclosed
CN-101309690-A Chemokine receptor binding compounds ANORMED INC (CA) 2008-11-19 — — CN disclosed
EP-1924265-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS Genzyme Corporation (US) 2008-05-28 — — EP disclosed
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 — — US disclosed
WO-2007022371-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2007-02-22 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240228499-A1 MASP-2 INHIBITORS AND METHODS OF USE MASP2, SPINT2, SERPINB1 CYP2A6 4244/4885ERN1 2374/4885PTGS1 3403/4885
US-20090149466-A1 INHIBITORS OF STEAROYL-COA DESATURASE SCD, SCD5, FADS2 CYP2A6 436/4885ERN1 2423/4885PTGS1 622/4885
US-12351537-B2 Dimethoxyphenylalkylamine activators of serotonin receptors HTR1A, HTR7, HTR4 CYP2A6 596/4885ERN1 2362/4885PTGS1 1861/4885
US-20090286782-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PRKDC, PRKACA, PRKACG CYP2A6 3548/4885ERN1 2308/4885PTGS1 477/4885
US-20070066624-A1 Chemokine receptor binding compounds CCR5, CCR4, CCR1 CYP2A6 3756/4885ERN1 2682/4885PTGS1 1700/4885
US-20250282712-A1 DIMETHOXYPHENYLALKYLAMINE ACTIVATORS OF SEROTONIN RECEPTORS HTR1A, HTR7, HTR4 CYP2A6 596/4885ERN1 2362/4885PTGS1 1861/4885
US-20240294461-A1 DIMETHOXYPHENYLALKYLAMINE ACTIVATORS OF SEROTONIN RECEPTORS HTR1A, HTR7, HTR4 CYP2A6 596/4885ERN1 2362/4885PTGS1 1861/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.